UCSF

ZINC49538203

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 5th, 2010 20 Yes

Popular Name: 1-(4-hydroxyphenyl)-2-[(4R)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethanone 1-(4-hydroxyphenyl)-2-[(4R)-4-me…

Find On: PubMed — Wikipedia — Google

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.84 7.17 -42.83 2 3 1 42 288.392 3 ↓
Hi High (pH 8-9.5) 2.84 5.92 -43.55 0 3 -1 43 286.376 3 ↓
Mid Mid (pH 6-8) 2.84 5.15 -9.61 1 3 0 41 287.384 3 ↓

Activity (Go SEA)

Rings

Analogs ( Draw Identity 99% 90% 80% 70% )

No pre-computed analogs available. Try a structural similarity search.